N-[2-(azepan-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide

Systemtic Name: N-[2-(azepan-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Openeye Name: N-[2-(azepan-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide CAS Name: N-[2-(1-azepanyl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-3-piperidinecarboxamide IUPAC Name: N-[2-(azepan-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)piperidine-3-carboxamide Traditional Name: N-[2-(azepan-1-yl)ethyl]-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)nipecotamide Formula: C23H34N4OS MolecularWeight: 414.60726

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCCN4CCCCCC4)C

Isomeric SMILES

CC1=CC(=C2C(=C1)SC(=N2)N3CCCC(C3)C(=O)NCCN4CCCCCC4)C

InChI

InChI=1S/C23H34N4OS/c1-17-14-18(2)21-20(15-17)29-23(25-21)27-12-7-8-19(16-27)22(28)24-9-13-26-10-5-3-4-6-11-26/h14-15,19H,3-13,16H2,1-2H3,(H,24,28)